(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine

C7H14N2 — CID 82418792

IUPAC(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
SMILESC1C[C@H]2NCC[C@@H]2CN1
InChIInChI=1S/C7H14N2/c1-4-9-7-2-3-8-5-6(1)7/h6-9H,1-5H2/t6-,7-/m1/s1
InChIKeyUWQVPLPJLRBXRH-RNFRBKRXSA-N
MW126.20 g/mol
LogP-0.04
Rot. Bonds

About (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine

(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 82418792) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID82418792
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Name(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine
SMILESC1C[C@H]2NCC[C@@H]2CN1
InChIInChI=1S/C7H14N2/c1-4-9-7-2-3-8-5-6(1)7/h6-9H,1-5H2/t6-,7-/m1/s1
InChIKeyUWQVPLPJLRBXRH-RNFRBKRXSA-N
XLogP-0.04
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine with MolForge

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Related Compounds

1,2,3,3a,4,5,6,7,8,8a-decahydropyrrolo[2,3-d]azepine
CID 68900262
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CID 54510813
3,7-diazabicyclo[4.2.0]octane
CID 23282823
4,8-diazabicyclo[5.2.0]nonane
CID 122671923
5-(azepan-3-yl)-1,4-diazepane
CID 134482589
2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[2,3-c]pyridine;ethane
CID 143810009
1,2,3,4,4a,5,6,7,8,8a-decahydro-2,6-naphthyridine
CID 5255831
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-pyrido[3,2-c]azepine
CID 82416494
(3R)-3-[(2R)-pyrrolidin-2-yl]piperidine
CID 40566318
3-cyclopropylpyrrolidine;hydrochloride
CID 162517794
2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-pyrido[3,4-b]azepine
CID 23282830
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine
CID 154791283

Frequently Asked Questions

What is the IUPAC name of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine (CID 82418792) is (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine is C1C[C@H]2NCC[C@@H]2CN1.
What is the InChIKey of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is UWQVPLPJLRBXRH-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-9-7-2-3-8-5-6(1)7/h6-9H,1-5H2/t6-,7-/m1/s1.
What are the key properties of (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine?
(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 126.20 g/mol, XLogP of -0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 82418792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).